4-chloro-N-cyclopropyl-2-fluoro-5-[1-[5-[[(3R,4S)-3-methoxy-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide;N-cyclopropyl-5-[1-[5-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[5-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]-3-pyridinyl]pyrazol-4-yl]benzamide

C101H115ClF5N23O6 — CID 158034832

IUPAC4-chloro-N-cyclopropyl-2-fluoro-5-[1-[5-[[(3R,4S)-3-methoxy-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide;N-cyclopropyl-5-[1-[5-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[5-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]-3-pyridinyl]pyrazol-4-yl]benzamide
SMILESCO[C@@H]1CN(C)CC[C@@H]1Nc1cncc(-n2cc(-c3cc(C(=O)NC4CC4)c(F)cc3Cl)cn2)c1.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(N3CCC(N(C)C)CC3)c2)c1.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(N[C@@H]3CCN(C)C[C@@H]3F)c2)c1.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(OC[C@H]3CCN(C)C3)c2)c1
InChIInChI=1S/C26H31FN6O.C25H28ClFN6O2.C25H28F2N6O.C25H28FN5O2/c1-17-10-25(27)24(26(34)30-19-4-5-19)12-23(17)18-13-29-33(16-18)22-11-21(14-28-15-22)32-8-6-20(7-9-32)31(2)3;1-32-6-5-23(24(14-32)35-2)30-17-7-18(12-28-11-17)33-13-15(10-29-33)19-8-20(22(27)9-21(19)26)25(34)31-16-3-4-16;1-15-7-22(26)21(25(34)31-17-3-4-17)9-20(15)16-10-29-33(13-16)19-8-18(11-28-12-19)30-24-5-6-32(2)14-23(24)27;1-16-7-24(26)23(25(32)29-19-3-4-19)9-22(16)18-10-28-31(14-18)20-8-21(12-27-11-20)33-15-17-5-6-30(2)13-17/h10-16,19-20H,4-9H2,1-3H3,(H,30,34);7-13,16,23-24,30H,3-6,14H2,1-2H3,(H,31,34);7-13,17,23-24,30H,3-6,14H2,1-2H3,(H,31,34);7-12,14,17,19H,3-6,13,15H2,1-2H3,(H,29,32)/t;2*23-,24+;17-/m.000/s1
InChIKeyFHPTVUCIEZXDGC-MCJQRLPTSA-N
MW1877.63 g/mol
LogP14.89
Rot. Bonds26

About 4-chloro-N-cyclopropyl-2-fluoro-5-[1-[5-[[(3R,4S)-3-methoxy-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide;N-cyclopropyl-5-[1-[5-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[5-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]-3-pyridinyl]pyrazol-4-yl]benzamide

4-chloro-N-cyclopropyl-2-fluoro-5-[1-[5-[[(3R,4S)-3-methoxy-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide;N-cyclopropyl-5-[1-[5-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[5-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]-3-pyridinyl]pyrazol-4-yl]benzamide (PubChem CID 158034832) has the molecular formula C101H115ClF5N23O6 and a molecular weight of 1877.63 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-2-fluoro-5-[1-[5-[[(3R,4S)-3-methoxy-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide;N-cyclopropyl-5-[1-[5-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[5-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]-3-pyridinyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-2-fluoro-5-[1-[5-[[(3R,4S)-3-methoxy-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide;N-cyclopropyl-5-[1-[5-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[5-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]-3-pyridinyl]pyrazol-4-yl]benzamide
PubChem CID158034832
Molecular FormulaC101H115ClF5N23O6
Molecular Weight1877.63 g/mol
Exact Mass1875.90
IUPAC Name4-chloro-N-cyclopropyl-2-fluoro-5-[1-[5-[[(3R,4S)-3-methoxy-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide;N-cyclopropyl-5-[1-[5-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[5-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]-3-pyridinyl]pyrazol-4-yl]benzamide
SMILESCO[C@@H]1CN(C)CC[C@@H]1Nc1cncc(-n2cc(-c3cc(C(=O)NC4CC4)c(F)cc3Cl)cn2)c1.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(N3CCC(N(C)C)CC3)c2)c1.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(N[C@@H]3CCN(C)C[C@@H]3F)c2)c1.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(OC[C@H]3CCN(C)C3)c2)c1
InChIInChI=1S/C26H31FN6O.C25H28ClFN6O2.C25H28F2N6O.C25H28FN5O2/c1-17-10-25(27)24(26(34)30-19-4-5-19)12-23(17)18-13-29-33(16-18)22-11-21(14-28-15-22)32-8-6-20(7-9-32)31(2)3;1-32-6-5-23(24(14-32)35-2)30-17-7-18(12-28-11-17)33-13-15(10-29-33)19-8-20(22(27)9-21(19)26)25(34)31-16-3-4-16;1-15-7-22(26)21(25(34)31-17-3-4-17)9-20(15)16-10-29-33(13-16)19-8-18(11-28-12-19)30-24-5-6-32(2)14-23(24)27;1-16-7-24(26)23(25(32)29-19-3-4-19)9-22(16)18-10-28-31(14-18)20-8-21(12-27-11-20)33-15-17-5-6-30(2)13-17/h10-16,19-20H,4-9H2,1-3H3,(H,30,34);7-13,16,23-24,30H,3-6,14H2,1-2H3,(H,31,34);7-13,17,23-24,30H,3-6,14H2,1-2H3,(H,31,34);7-12,14,17,19H,3-6,13,15H2,1-2H3,(H,29,32)/t;2*23-,24+;17-/m.000/s1
InChIKeyFHPTVUCIEZXDGC-MCJQRLPTSA-N
XLogP14.89
TPSA297.96 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds26
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001877.63
LogP ≤ 514.89
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Analyze 4-chloro-N-cyclopropyl-2-fluoro-5-[1-[5-[[(3R,4S)-3-methoxy-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide;N-cyclopropyl-5-[1-[5-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[5-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]-3-pyridinyl]pyrazol-4-yl]benzamide with MolForge

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Related Compounds

4-chloro-N-cyclopropyl-2-fluoro-5-[1-[5-[[(3R,4S)-3-methoxy-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide
CID 134325482
N-cyclopropyl-5-[1-[5-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
CID 134335693
4-chloro-N-cyclopropyl-2-fluoro-5-[4-[5-[[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-1-yl]benzamide
CID 176570337
5-[4-[5-[[1-(cyanomethyl)-3-fluoropiperidin-4-yl]amino]-3-pyridinyl]pyrazol-1-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide
CID 176570511
N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[oxetan-3-yl(piperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide
CID 134325353
N-cyclopropyl-5-[1-[5-[(3,3-difluoropiperidin-4-yl)methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
CID 161138760
N-cyclopropyl-2-fluoro-5-[4-[5-[[(3R,4S)-3-fluoro-1-(oxolan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-1-yl]-4-methylbenzamide
CID 176570395
N-cyclopropyl-4-methyl-3-[1-[5-[(1-pentan-3-ylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide
CID 154999645
tert-butyl 3-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridin-6-yl]pyrrolidine-1-carboxylate
CID 134328612
N-ethyl-5-[4-[5-[[(3R)-1-ethyl-3-fluoropiperidin-4-yl]amino]-3-pyridinyl]pyrazol-1-yl]-2-fluoro-4-methylbenzamide
CID 176570500
N-cyclopropyl-5-[1-[6-[1-[2-(dimethylamino)prop-2-enyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
CID 160618013
3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-N-[2-(methylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 134328512

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopropyl-2-fluoro-5-[1-[5-[[(3R,4S)-3-methoxy-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide;N-cyclopropyl-5-[1-[5-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[5-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]-3-pyridinyl]pyrazol-4-yl]benzamide?
The IUPAC name of 4-chloro-N-cyclopropyl-2-fluoro-5-[1-[5-[[(3R,4S)-3-methoxy-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide;N-cyclopropyl-5-[1-[5-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[5-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]-3-pyridinyl]pyrazol-4-yl]benzamide (CID 158034832) is 4-chloro-N-cyclopropyl-2-fluoro-5-[1-[5-[[(3R,4S)-3-methoxy-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide;N-cyclopropyl-5-[1-[5-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[5-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]-3-pyridinyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 4-chloro-N-cyclopropyl-2-fluoro-5-[1-[5-[[(3R,4S)-3-methoxy-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide;N-cyclopropyl-5-[1-[5-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[5-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]-3-pyridinyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 4-chloro-N-cyclopropyl-2-fluoro-5-[1-[5-[[(3R,4S)-3-methoxy-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide;N-cyclopropyl-5-[1-[5-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[5-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]-3-pyridinyl]pyrazol-4-yl]benzamide is CO[C@@H]1CN(C)CC[C@@H]1Nc1cncc(-n2cc(-c3cc(C(=O)NC4CC4)c(F)cc3Cl)cn2)c1.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(N3CCC(N(C)C)CC3)c2)c1.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(N[C@@H]3CCN(C)C[C@@H]3F)c2)c1.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(OC[C@H]3CCN(C)C3)c2)c1.
What is the InChIKey of 4-chloro-N-cyclopropyl-2-fluoro-5-[1-[5-[[(3R,4S)-3-methoxy-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide;N-cyclopropyl-5-[1-[5-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[5-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]-3-pyridinyl]pyrazol-4-yl]benzamide?
The InChIKey is FHPTVUCIEZXDGC-MCJQRLPTSA-N. The full InChI is InChI=1S/C26H31FN6O.C25H28ClFN6O2.C25H28F2N6O.C25H28FN5O2/c1-17-10-25(27)24(26(34)30-19-4-5-19)12-23(17)18-13-29-33(16-18)22-11-21(14-28-15-22)32-8-6-20(7-9-32)31(2)3;1-32-6-5-23(24(14-32)35-2)30-17-7-18(12-28-11-17)33-13-15(10-29-33)19-8-20(22(27)9-21(19)26)25(34)31-16-3-4-16;1-15-7-22(26)21(25(34)31-17-3-4-17)9-20(15)16-10-29-33(13-16)19-8-18(11-28-12-19)30-24-5-6-32(2)14-23(24)27;1-16-7-24(26)23(25(32)29-19-3-4-19)9-22(16)18-10-28-31(14-18)20-8-21(12-27-11-20)33-15-17-5-6-30(2)13-17/h10-16,19-20H,4-9H2,1-3H3,(H,30,34);7-13,16,23-24,30H,3-6,14H2,1-2H3,(H,31,34);7-13,17,23-24,30H,3-6,14H2,1-2H3,(H,31,34);7-12,14,17,19H,3-6,13,15H2,1-2H3,(H,29,32)/t;2*23-,24+;17-/m.000/s1.
What are the key properties of 4-chloro-N-cyclopropyl-2-fluoro-5-[1-[5-[[(3R,4S)-3-methoxy-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide;N-cyclopropyl-5-[1-[5-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[5-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]-3-pyridinyl]pyrazol-4-yl]benzamide?
4-chloro-N-cyclopropyl-2-fluoro-5-[1-[5-[[(3R,4S)-3-methoxy-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide;N-cyclopropyl-5-[1-[5-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[5-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]-3-pyridinyl]pyrazol-4-yl]benzamide has a molecular weight of 1877.63 g/mol, XLogP of 14.89, 26 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopropyl-2-fluoro-5-[1-[5-[[(3R,4S)-3-methoxy-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide;N-cyclopropyl-5-[1-[5-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[5-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]-3-pyridinyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 158034832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).